Chem
J-GLOBAL ID：200907016831580139   Nikkaji number：J1.741.558A

Elfvingic acid A

エルフビング酸A
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H40O8
Molecular formula furigana： C30-H40-O8
Molecular weight： 528.642
InChI： InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17,19,21,25,34,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10-/t15?,17-,19+,21-,25+,28+,29+,30+/m1/s1
InChI key： PEGUBVVGNSOOBD-SPQZLIEPSA-N
SMILES： CC(CC(=O)/C=C(/C)\[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)O
Systematic name  (3)：
  • (20Z)-12α,15β-ジヒドロキシ-3,7,11,23-テトラオキソラノスタ-8,20(22)-ジエン-26-酸
  • (5Z)-6-[(1R,3R,3aR,5aR,9aS,11R,11aR)-3,11-ジヒドロキシ-3a,6,6,9a,11a-ペンタメチル-4,7,10-トリオキソ-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-メチル-4-オキソヘプタ-5-エン酸
  • (5Z)-6-[(1R,3R,3aR,5aR,9aS,11R,11aR)-3,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxohept-5-enoic acid
Other name (3)：
  • (20Z)-12α,15β-Dihydroxy-3,7,11,23-tetraoxolanosta-8,20(22)-diene-26-oic acid
  • エルフビング酸A
  • Elfvingic acid A
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